#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfp n SER 1 N 0.00 0.00 -0.07 7.83 7.64 -1.26 -3.86 113.62 123.90 1cfp n SER 1 Ca 0.00 -0.70 0.24 0.00 1.01 0.00 0.00 58.87 59.42 1cfp n SER 1 Cb 0.00 -0.09 0.54 0.00 -1.01 0.00 0.00 64.21 63.65 1cfp n SER 1 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1cfp h GLU 2 N 0.00 0.00 0.00 1.43 4.39 -2.04 0.31 114.58 118.68 1cfp h GLU 2 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1cfp h GLU 2 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1cfp h GLU 2 CO 0.00 0.00 -0.00 -0.07 -1.16 0.00 0.00 179.01 177.78 1cfp h LEU 3 N 0.00 0.00 -1.87 1.33 4.07 -1.97 0.32 115.31 117.18 1cfp h LEU 3 Ca 0.35 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.41 1cfp h LEU 3 Cb 2.18 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.90 1cfp h LEU 3 CO -0.00 0.45 0.30 -0.08 -1.08 0.00 0.00 178.44 178.02 1cfp h GLU 4 N -0.89 0.14 0.05 1.13 4.22 -1.51 1.38 114.58 119.09 1cfp h GLU 4 Ca 0.00 -0.01 -0.23 0.00 0.08 0.00 0.00 59.36 59.20 1cfp h GLU 4 Cb 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1cfp h GLU 4 CO 0.00 0.09 -1.03 0.87 -2.18 0.00 0.00 179.01 176.76 1cfp h LYS 5 N 0.14 0.27 -0.08 1.92 1.79 -0.52 -2.63 116.57 117.47 1cfp h LYS 5 Ca 0.20 -0.35 -0.15 0.00 -2.18 0.00 0.00 60.65 58.17 1cfp h LYS 5 Cb 0.61 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1cfp h LYS 5 CO -0.03 1.09 -0.60 0.00 -1.08 0.00 0.00 179.45 178.84 1cfp h ALA 6 N 0.77 0.84 -0.21 3.86 0.00 0.33 -2.38 119.26 122.47 1cfp h ALA 6 Ca -0.08 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.33 1cfp h ALA 6 Cb 1.71 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1cfp h ALA 6 CO 0.17 0.72 -0.02 0.28 0.00 0.00 0.00 179.25 180.40 1cfp h VAL 7 N 0.20 0.83 -0.61 0.00 2.07 0.18 0.71 116.25 119.62 1cfp h VAL 7 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1cfp h VAL 7 Cb 1.10 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1cfp h VAL 7 CO 0.09 0.01 0.39 0.58 0.02 0.00 0.00 177.57 178.66 1cfp h VAL 8 N 0.04 1.16 -0.41 2.57 2.07 -1.27 -1.75 116.25 118.66 1cfp h VAL 8 Ca 0.10 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 1cfp h VAL 8 Cb 0.14 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1cfp h VAL 8 CO -0.18 0.16 -0.31 0.00 0.02 0.00 0.00 177.57 177.26 1cfp h ALA 9 N 1.60 0.67 0.05 1.67 0.00 -0.36 -3.14 119.26 119.75 1cfp h ALA 9 Ca 0.22 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1cfp h ALA 9 Cb -0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1cfp h ALA 9 CO -0.05 0.67 -0.34 -0.07 0.00 0.00 0.00 179.25 179.47 1cfp h LEU 10 N 0.77 -1.00 -1.79 0.00 3.38 0.12 0.46 115.31 117.25 1cfp h LEU 10 Ca 0.08 0.12 0.52 0.00 0.09 0.00 0.00 57.88 58.70 1cfp h LEU 10 Cb 0.88 0.39 -0.10 0.00 0.09 0.00 0.00 40.66 41.93 1cfp h LEU 10 CO 0.08 -0.41 1.20 0.16 0.09 0.00 0.00 178.44 179.56 1cfp h ILE 11 N -0.53 0.05 0.33 1.22 -0.00 -1.45 3.28 117.51 120.41 1cfp h ILE 11 Ca 0.05 -0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.89 1cfp h ILE 11 Cb 0.59 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.44 1cfp h ILE 11 CO -0.24 0.00 -0.16 -0.78 -0.00 0.00 0.00 178.15 176.97 1cfp h ASP 12 N 0.01 -0.37 0.59 2.16 1.82 -0.17 0.16 116.42 120.63 1cfp h ASP 12 Ca 0.89 -0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 57.33 1cfp h ASP 12 Cb 3.32 0.10 0.01 0.00 0.68 0.00 0.00 39.33 43.43 1cfp h ASP 12 CO -0.17 0.07 -0.29 0.58 -1.61 0.00 0.00 179.24 177.82 1cfp h VAL 13 N -0.91 0.00 -0.68 2.25 2.07 0.60 -2.90 116.25 116.68 1cfp h VAL 13 Ca -0.04 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.46 1cfp h VAL 13 Cb 0.52 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 1cfp h VAL 13 CO 0.07 0.00 -0.07 0.15 0.02 0.00 0.00 177.57 177.74 1cfp h PHE 14 N -0.96 -0.19 -0.97 1.57 3.04 0.43 0.41 116.94 120.27 1cfp h PHE 14 Ca -0.08 0.05 0.23 0.00 3.98 0.00 0.00 57.97 62.16 1cfp h PHE 14 Cb 0.61 0.19 -0.18 0.00 2.56 0.00 0.00 35.95 39.13 1cfp h PHE 14 CO 0.05 -0.24 -0.09 1.25 -2.02 0.00 0.00 178.31 177.25 1cfp h HIS 15 N 0.06 -0.26 0.04 0.41 2.76 -0.57 2.33 115.15 119.91 1cfp h HIS 15 Ca 0.35 0.08 -0.22 0.00 -2.20 0.00 0.00 60.37 58.37 1cfp h HIS 15 Cb 0.57 0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 1cfp h HIS 15 CO -0.46 -0.42 -1.05 0.37 -1.30 0.00 0.00 177.93 175.08 1cfp h GLN 16 N 0.01 0.09 0.11 5.26 4.15 -0.29 -3.13 115.11 121.31 1cfp h GLN 16 Ca 0.53 -0.15 -0.27 0.00 0.77 0.00 0.00 58.65 59.53 1cfp h GLN 16 Cb 0.97 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 1cfp h GLN 16 CO -0.94 1.05 -1.37 1.88 -1.93 0.00 0.00 178.83 177.52 1cfp h TYR 17 N 0.03 0.41 0.00 3.99 -1.99 0.46 1.36 116.97 121.23 1cfp h TYR 17 Ca -0.05 -0.30 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1cfp h TYR 17 Cb 1.78 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.50 1cfp h TYR 17 CO 0.02 1.53 0.19 0.66 -0.00 0.00 0.00 178.16 180.56 1cfp h SER 18 N -0.36 0.00 0.00 3.88 4.64 0.33 -3.39 113.55 118.66 1cfp h SER 18 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1cfp h SER 18 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1cfp h SER 18 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1cfp n GLY 19 N -1.18 -1.10 0.33 -0.77 0.00 -1.22 -1.77 105.19 99.48 1cfp n GLY 19 Ca -0.02 0.39 0.24 0.00 0.00 0.00 0.00 46.02 46.62 1cfp n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cfp h ARG 20 N 0.00 0.30 0.00 1.61 0.11 0.19 -3.25 114.38 113.34 1cfp h ARG 20 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1cfp h ARG 20 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.01 1cfp h ARG 20 CO 0.00 0.20 -0.04 -1.91 0.10 0.00 0.00 179.97 178.32 1cfp n GLU 21 N -5.07 0.00 0.00 0.08 4.07 -1.26 -4.95 120.64 113.51 1cfp n GLU 21 Ca 0.32 -0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1cfp n GLU 21 Cb 0.99 -0.23 0.00 0.00 -0.06 0.00 0.00 31.44 32.14 1cfp n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1cfp n GLY 22 N 0.00 1.02 0.00 8.31 0.00 -1.23 -5.11 105.19 108.18 1cfp n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cfp n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cfp n ASP 23 N 0.00 -0.61 0.00 1.61 9.92 -1.26 -4.96 116.55 121.24 1cfp n ASP 23 Ca 0.00 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1cfp n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1cfp n ASP 23 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cfp n LYS 24 N -0.82 0.00 -2.77 -1.24 5.02 -1.23 -4.30 118.16 112.82 1cfp n LYS 24 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1cfp n LYS 24 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1cfp n LYS 24 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1cfp n HIS 25 N -0.78 3.65 -3.95 2.13 -0.00 -1.25 -3.42 115.22 111.60 1cfp n HIS 25 Ca 0.00 -3.49 -0.08 0.00 -0.00 0.00 0.00 57.72 54.14 1cfp n HIS 25 Cb 0.00 -0.63 -0.04 0.00 -0.00 0.00 0.00 29.99 29.31 1cfp n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1cfp s LYS 26 N -3.71 1.63 -0.07 1.57 3.01 -0.73 -4.51 119.74 116.94 1cfp s LYS 26 Ca 0.47 -1.17 0.02 0.00 -1.01 0.00 0.00 55.97 54.27 1cfp s LYS 26 Cb 0.28 0.52 0.02 0.00 -1.01 0.00 0.00 37.83 37.63 1cfp s LYS 26 CO -0.16 -0.70 -0.10 -1.17 0.51 0.00 0.00 175.35 173.73 1cfp s LEU 27 N -2.99 1.52 0.06 3.17 0.20 0.34 -3.86 118.68 117.12 1cfp s LEU 27 Ca 0.19 -0.26 -0.19 0.00 0.69 0.00 0.00 54.13 54.56 1cfp s LEU 27 Cb -0.02 -0.75 -0.07 0.00 -0.43 0.00 0.00 46.19 44.92 1cfp s LEU 27 CO 0.08 -0.01 0.55 -0.54 -0.29 0.00 0.00 176.35 176.15 1cfp s LYS 28 N 0.85 4.17 0.39 1.98 1.02 -1.26 -2.13 119.74 124.76 1cfp s LYS 28 Ca -0.11 0.70 0.34 0.00 0.02 0.00 0.00 55.97 56.92 1cfp s LYS 28 Cb -0.15 -3.24 1.26 0.00 -0.52 0.00 0.00 37.83 35.18 1cfp s LYS 28 CO 0.01 0.64 1.18 1.63 -0.92 0.00 0.00 175.35 177.90 1cfp n LYS 29 N 1.74 -0.01 0.01 1.68 4.76 -1.26 0.25 118.16 125.34 1cfp n LYS 29 Ca -0.11 0.86 -0.18 0.00 -2.87 0.00 0.00 58.31 56.01 1cfp n LYS 29 Cb 0.51 -1.88 -0.11 0.00 -1.84 0.00 0.00 35.03 31.70 1cfp n LYS 29 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1cfp h SER 30 N 0.00 0.55 -0.51 4.39 0.87 -1.99 -2.97 113.55 113.88 1cfp h SER 30 Ca 0.70 -0.77 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1cfp h SER 30 Cb 2.64 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 64.40 1cfp h SER 30 CO -0.11 1.26 0.32 -0.33 -0.53 0.00 0.00 176.83 177.43 1cfp h GLU 31 N -0.09 0.63 -0.26 2.24 5.08 0.31 -2.25 114.58 120.23 1cfp h GLU 31 Ca -0.08 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1cfp h GLU 31 Cb 1.36 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 1cfp h GLU 31 CO 0.13 0.41 -0.22 1.25 -1.00 0.00 0.00 179.01 179.58 1cfp h LEU 32 N 0.64 -0.70 -0.66 1.33 5.85 -1.30 -1.10 115.31 119.37 1cfp h LEU 32 Ca 0.20 0.14 0.10 0.00 0.84 0.00 0.00 57.88 59.15 1cfp h LEU 32 Cb -0.02 0.34 -0.12 0.00 0.37 0.00 0.00 40.66 41.24 1cfp h LEU 32 CO -0.07 -0.25 -0.42 0.50 -0.34 0.00 0.00 178.44 177.85 1cfp h LYS 33 N -0.21 -0.17 -0.26 1.25 3.11 -1.24 0.12 116.57 119.17 1cfp h LYS 33 Ca 0.14 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.05 1cfp h LYS 33 Cb 0.43 0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 31.62 1cfp h LYS 33 CO -0.39 -0.11 -0.39 0.93 -2.81 0.00 0.00 179.45 176.69 1cfp h GLU 34 N -0.17 -0.37 -1.56 1.90 3.07 -1.00 0.32 114.58 116.77 1cfp h GLU 34 Ca 0.21 0.03 0.49 0.00 -0.50 0.00 0.00 59.36 59.59 1cfp h GLU 34 Cb 0.56 0.08 -0.11 0.00 -0.84 0.00 0.00 28.75 28.44 1cfp h GLU 34 CO -0.74 -0.25 1.06 1.25 -1.40 0.00 0.00 179.01 178.94 1cfp h LEU 35 N -0.38 0.13 0.00 1.33 6.46 0.20 1.06 115.31 124.11 1cfp h LEU 35 Ca 0.11 0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 57.84 1cfp h LEU 35 Cb 0.58 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1cfp h LEU 35 CO -0.46 -0.13 -0.66 0.40 -0.62 0.00 0.00 178.44 176.96 1cfp h ILE 36 N 0.03 1.34 0.00 4.05 1.08 0.16 -3.24 117.51 120.93 1cfp h ILE 36 Ca 0.86 -2.27 -0.07 0.00 -0.39 0.00 0.00 64.86 62.99 1cfp h ILE 36 Cb 3.05 2.79 -0.01 0.00 -3.07 0.00 0.00 36.82 39.58 1cfp h ILE 36 CO -0.26 0.46 -0.35 -0.55 -0.69 0.00 0.00 178.15 176.76 1cfp h ASN 37 N -0.98 0.00 0.79 1.72 7.08 0.50 2.13 115.58 126.82 1cfp h ASN 37 Ca -0.18 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.04 1cfp h ASN 37 Cb 1.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1cfp h ASN 37 CO -0.10 0.35 -0.01 0.59 -2.08 0.00 0.00 177.43 176.17 1cfp n ASN 38 N -3.65 0.02 0.00 6.14 3.02 0.35 -4.11 115.26 117.03 1cfp n ASN 38 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1cfp n ASN 38 Cb 0.46 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1cfp n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1cfp n GLU 39 N -1.39 0.00 -2.43 3.52 1.02 -0.94 -4.87 120.64 115.55 1cfp n GLU 39 Ca 0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1cfp n GLU 39 Cb 0.30 -0.42 0.01 0.00 -0.02 0.00 0.00 31.44 31.30 1cfp n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1cfp n LEU 40 N -2.53 7.07 -0.54 -4.62 4.77 0.72 -4.80 117.00 117.07 1cfp n LEU 40 Ca 0.00 -4.93 0.44 0.00 -0.03 0.00 0.00 56.01 51.49 1cfp n LEU 40 Cb 0.26 -1.36 0.72 0.00 -2.33 0.00 0.00 43.42 40.72 1cfp n LEU 40 CO 0.00 1.72 1.32 0.28 -1.33 0.00 0.00 177.39 179.37 1cfp h SER 41 N 5.18 0.14 -0.84 -1.43 0.02 -1.72 0.60 113.55 115.50 1cfp h SER 41 Ca 0.45 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 61.62 1cfp h SER 41 Cb 0.50 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 1cfp h SER 41 CO 1.47 -0.16 0.46 0.45 -1.14 0.00 0.00 176.83 177.91 1cfp h HIS 42 N 0.02 0.82 0.00 3.45 3.86 -1.90 0.24 115.15 121.63 1cfp h HIS 42 Ca 0.89 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 60.13 1cfp h HIS 42 Cb 3.09 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 31.32 1cfp h HIS 42 CO -0.00 0.28 0.00 1.19 0.86 0.00 0.00 177.93 180.25 1cfp n PHE 43 N -4.80 0.05 -0.26 2.45 3.72 0.21 -3.07 117.46 115.76 1cfp n PHE 43 Ca 0.15 0.02 0.24 0.00 -0.05 0.00 0.00 57.45 57.81 1cfp n PHE 43 Cb 0.34 -0.53 0.58 0.00 -0.94 0.00 0.00 39.48 38.94 1cfp n PHE 43 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1cfp h LEU 44 N 0.00 0.28 0.00 4.37 5.85 -0.41 0.88 115.31 126.28 1cfp h LEU 44 Ca 0.00 0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.50 1cfp h LEU 44 Cb 0.49 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1cfp h LEU 44 CO 0.00 0.09 -1.66 -0.62 -0.34 0.00 0.00 178.44 175.91 1cfp n GLU 45 N -4.45 0.63 -0.78 1.25 4.71 -1.17 -4.94 120.64 115.88 1cfp n GLU 45 Ca 0.22 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 1cfp n GLU 45 Cb 0.87 -1.78 0.00 0.00 -1.01 0.00 0.00 31.44 29.52 1cfp n GLU 45 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1cfp n GLU 46 N -2.97 -0.37 0.02 3.49 2.13 0.31 -4.78 120.64 118.46 1cfp n GLU 46 Ca -0.15 0.09 -0.18 0.00 0.66 0.00 0.00 57.16 57.58 1cfp n GLU 46 Cb 0.99 -3.90 -0.14 0.00 0.27 0.00 0.00 31.44 28.66 1cfp n GLU 46 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1cfp h ILE 47 N 0.00 0.79 0.00 6.31 -0.00 -1.84 -3.31 117.51 119.47 1cfp h ILE 47 Ca 0.00 -2.51 0.00 0.00 -0.00 0.00 0.00 64.86 62.35 1cfp h ILE 47 Cb 0.18 2.56 0.00 0.00 -0.00 0.00 0.00 36.82 39.57 1cfp h ILE 47 CO 0.00 0.80 0.08 0.11 -0.00 0.00 0.00 178.15 179.14 1cfp h LYS 48 N 0.06 0.00 -2.59 2.19 6.56 -1.87 -3.16 116.57 117.76 1cfp h LYS 48 Ca -0.36 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.63 1cfp h LYS 48 Cb 2.04 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 33.28 1cfp h LYS 48 CO 0.11 0.00 -0.68 -0.85 -2.06 0.00 0.00 179.45 175.97 1cfp n GLU 49 N -2.26 1.78 0.00 3.15 0.28 -1.25 -4.99 120.64 117.35 1cfp n GLU 49 Ca -0.01 -4.28 0.00 0.00 -0.16 0.00 0.00 57.16 52.70 1cfp n GLU 49 Cb 0.12 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 30.88 1cfp n GLU 49 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1cfp n GLN 50 N 1.62 0.00 -0.25 3.44 6.02 -1.20 0.69 117.38 127.70 1cfp n GLN 50 Ca 0.25 0.00 0.32 0.00 -0.01 0.00 0.00 57.00 57.56 1cfp n GLN 50 Cb 0.40 -0.65 0.74 0.00 1.02 0.00 0.00 30.24 31.75 1cfp n GLN 50 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1cfp h GLU 51 N 0.00 0.00 0.08 -1.09 4.81 -1.94 0.44 114.58 116.88 1cfp h GLU 51 Ca 0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1cfp h GLU 51 Cb 0.00 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.41 1cfp h GLU 51 CO 0.00 0.00 -1.18 0.28 -0.73 0.00 0.00 179.01 177.38 1cfp h VAL 52 N 0.00 1.28 -1.08 0.32 2.07 -1.85 -2.57 116.25 114.42 1cfp h VAL 52 Ca 0.50 -2.38 0.30 0.00 0.82 0.00 0.00 66.70 65.94 1cfp h VAL 52 Cb 2.08 2.58 -0.07 0.00 -1.52 0.00 0.00 31.29 34.36 1cfp h VAL 52 CO -0.01 0.73 0.74 0.58 0.02 0.00 0.00 177.57 179.64 1cfp h VAL 53 N 0.32 0.48 -0.25 2.57 2.07 0.50 2.48 116.25 124.42 1cfp h VAL 53 Ca -0.17 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1cfp h VAL 53 Cb 1.84 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1cfp h VAL 53 CO 0.23 0.03 -0.34 -0.78 0.02 0.00 0.00 177.57 176.73 1cfp h ASP 54 N 0.18 0.73 0.07 0.57 3.58 -1.19 -2.12 116.42 118.24 1cfp h ASP 54 Ca 0.56 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1cfp h ASP 54 Cb 1.85 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.69 1cfp h ASP 54 CO -0.14 1.09 -0.04 0.11 -2.88 0.00 0.00 179.24 177.38 1cfp h LYS 55 N 0.38 -0.09 -1.63 0.28 6.56 0.38 -1.34 116.57 121.11 1cfp h LYS 55 Ca 0.03 0.01 0.52 0.00 -1.06 0.00 0.00 60.65 60.14 1cfp h LYS 55 Cb 0.92 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 32.49 1cfp h LYS 55 CO 0.08 -0.06 1.11 0.28 -2.06 0.00 0.00 179.45 178.79 1cfp h VAL 56 N -0.32 0.01 0.00 0.50 2.07 0.25 2.03 116.25 120.79 1cfp h VAL 56 Ca -0.01 -0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.28 1cfp h VAL 56 Cb 0.08 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1cfp h VAL 56 CO 0.02 0.00 -1.18 0.24 0.02 0.00 0.00 177.57 176.67 1cfp h MET 57 N 0.01 0.00 -0.24 1.57 2.86 -1.43 -2.67 114.93 115.03 1cfp h MET 57 Ca 0.90 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 58.48 1cfp h MET 57 Cb 3.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 34.86 1cfp h MET 57 CO -0.28 0.80 -0.14 1.05 1.06 0.00 0.00 176.91 179.40 1cfp h GLU 58 N 0.00 0.39 0.10 1.72 -0.00 0.45 -1.91 114.58 115.32 1cfp h GLU 58 Ca -0.09 -0.11 -0.25 0.00 -0.00 0.00 0.00 59.36 58.91 1cfp h GLU 58 Cb 1.81 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 30.51 1cfp h GLU 58 CO 0.11 0.54 -1.29 1.15 -0.00 0.00 0.00 179.01 179.52 1cfp h THR 59 N 0.37 1.09 -0.78 -1.06 2.02 -1.47 -2.62 112.91 110.45 1cfp h THR 59 Ca 0.07 -2.38 0.07 0.00 0.77 0.00 0.00 66.41 64.94 1cfp h THR 59 Cb 0.47 2.73 -0.06 0.00 -1.74 0.00 0.00 68.15 69.55 1cfp h THR 59 CO 0.03 0.66 0.46 0.25 0.37 0.00 0.00 175.52 177.29 1cfp h LEU 60 N -0.41 0.70 0.09 2.58 6.46 -1.45 2.35 115.31 125.62 1cfp h LEU 60 Ca -0.28 0.03 -0.27 0.00 -0.12 0.00 0.00 57.88 57.23 1cfp h LEU 60 Cb 1.67 -0.11 0.03 0.00 -0.73 0.00 0.00 40.66 41.51 1cfp h LEU 60 CO 0.03 0.43 -1.12 0.44 -0.62 0.00 0.00 178.44 177.60 1cfp h ASP 61 N 0.82 0.84 -0.08 1.25 3.32 -1.49 -3.26 116.42 117.82 1cfp h ASP 61 Ca 0.35 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1cfp h ASP 61 Cb 0.22 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1cfp h ASP 61 CO -0.19 1.55 0.00 -1.54 -1.72 0.00 0.00 179.24 177.34 1cfp n SER 62 N -3.87 1.73 -2.73 6.45 3.41 -0.99 -4.35 113.62 113.28 1cfp n SER 62 Ca -0.13 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1cfp n SER 62 Cb 0.93 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1cfp n SER 62 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1cfp n ASP 63 N 0.36 0.00 0.03 4.04 -0.08 0.79 -4.41 116.55 117.27 1cfp n ASP 63 Ca 0.18 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.67 1cfp n ASP 63 Cb 0.37 0.00 0.62 0.00 2.34 0.00 0.00 41.12 44.45 1cfp n ASP 63 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1cfp h GLY 64 N 0.00 0.00 -7.03 0.27 0.00 -1.87 -3.44 103.07 91.00 1cfp h GLY 64 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1cfp h GLY 64 CO 0.00 0.00 -0.98 1.34 0.00 0.00 0.00 176.54 176.90 1cfp n ASP 65 N -3.41 -0.95 0.00 0.19 2.03 -1.26 -4.11 116.55 109.04 1cfp n ASP 65 Ca 0.11 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 54.14 1cfp n ASP 65 Cb 0.91 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 1cfp n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cfp n GLY 66 N -2.39 0.16 2.88 0.27 0.00 -1.26 -5.09 105.19 99.75 1cfp n GLY 66 Ca -0.24 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1cfp n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cfp s GLU 67 N 0.00 0.34 0.23 1.61 2.12 -1.26 -4.96 118.70 116.78 1cfp s GLU 67 Ca 0.00 0.37 -0.08 0.00 0.36 0.00 0.00 54.97 55.63 1cfp s GLU 67 Cb 0.00 -0.56 -0.06 0.00 0.26 0.00 0.00 34.13 33.76 1cfp s GLU 67 CO 0.00 -0.74 0.53 0.00 -0.54 0.00 0.00 175.26 174.51 1cfp s ASP 69 N -2.58 1.87 0.36 0.00 1.47 -1.26 0.13 116.67 116.66 1cfp s ASP 69 Ca 0.46 -1.72 0.32 0.00 1.18 0.00 0.00 52.55 52.79 1cfp s ASP 69 Cb -0.11 0.54 1.11 0.00 -0.34 0.00 0.00 42.92 44.12 1cfp s ASP 69 CO 0.24 -1.02 1.01 0.49 0.68 0.00 0.00 175.17 176.57 1cfp n PHE 70 N -0.68 0.00 0.58 2.11 3.01 -1.26 0.26 117.46 121.48 1cfp n PHE 70 Ca 0.04 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.61 1cfp n PHE 70 Cb 0.63 -0.32 0.07 0.00 -0.01 0.00 0.00 39.48 39.85 1cfp n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cfp n GLN 71 N -3.22 0.28 0.04 -1.08 -0.00 -1.26 -4.18 117.38 107.95 1cfp n GLN 71 Ca 0.29 0.02 -0.03 0.00 -0.00 0.00 0.00 57.00 57.28 1cfp n GLN 71 Cb 1.31 -1.62 -0.02 0.00 -0.00 0.00 0.00 30.24 29.92 1cfp n GLN 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1cfp h GLU 72 N 0.00 -0.19 -0.51 2.61 5.08 0.31 -1.91 114.58 119.97 1cfp h GLU 72 Ca 0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1cfp h GLU 72 Cb 0.73 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.92 1cfp h GLU 72 CO 0.00 -0.12 -0.33 0.35 -1.00 0.00 0.00 179.01 177.91 1cfp h PHE 73 N -1.05 -0.90 -0.71 4.33 3.57 -1.78 1.06 116.94 121.46 1cfp h PHE 73 Ca -0.02 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1cfp h PHE 73 Cb 0.16 0.47 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1cfp h PHE 73 CO 0.00 -0.38 0.47 0.52 -2.23 0.00 0.00 178.31 176.69 1cfp h MET 74 N -0.20 0.54 0.36 1.11 2.86 -1.73 0.39 114.93 118.27 1cfp h MET 74 Ca 0.21 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1cfp h MET 74 Cb 0.54 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1cfp h MET 74 CO -0.62 0.36 -0.17 0.00 1.06 0.00 0.00 176.91 177.54 1cfp h ALA 75 N 1.65 -0.74 -0.13 6.32 0.00 0.18 -2.72 119.26 123.82 1cfp h ALA 75 Ca 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1cfp h ALA 75 Cb 0.54 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1cfp h ALA 75 CO -0.11 -0.70 0.07 0.35 0.00 0.00 0.00 179.25 178.85 1cfp h PHE 76 N -0.72 0.18 -0.99 0.00 3.57 -0.33 -0.67 116.94 117.98 1cfp h PHE 76 Ca -0.05 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.73 1cfp h PHE 76 Cb 0.37 -0.06 -0.14 0.00 2.79 0.00 0.00 35.95 38.92 1cfp h PHE 76 CO 0.06 0.20 0.55 -0.24 -2.23 0.00 0.00 178.31 176.64 1cfp h VAL 77 N 0.11 0.38 -0.08 1.41 3.04 -0.34 2.45 116.25 123.23 1cfp h VAL 77 Ca 0.05 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 65.46 1cfp h VAL 77 Cb 0.08 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.29 1cfp h VAL 77 CO -0.01 0.07 -0.57 0.00 -1.01 0.00 0.00 177.57 176.05 1cfp h ALA 78 N 1.80 0.89 0.00 3.17 0.00 -1.01 -1.96 119.26 122.14 1cfp h ALA 78 Ca 0.69 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1cfp h ALA 78 Cb 1.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1cfp h ALA 78 CO -0.56 0.71 -0.29 1.98 0.00 0.00 0.00 179.25 181.09 1cfp h MET 79 N 0.18 0.00 0.06 0.00 -1.53 0.53 -1.79 114.93 112.39 1cfp h MET 79 Ca -0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1cfp h MET 79 Cb 1.06 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.11 1cfp h MET 79 CO 0.09 0.29 -0.03 0.82 0.14 0.00 0.00 176.91 178.21 1cfp h ILE 80 N 0.00 0.00 -1.27 1.77 2.04 0.65 -2.95 117.51 117.74 1cfp h ILE 80 Ca -0.00 -0.47 0.37 0.00 1.00 0.00 0.00 64.86 65.76 1cfp h ILE 80 Cb 0.67 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1cfp h ILE 80 CO 0.04 0.00 1.00 0.74 0.00 0.00 0.00 178.15 179.93 1cfp h THR 81 N -0.55 0.24 0.35 -0.27 2.02 -1.41 2.43 112.91 115.72 1cfp h THR 81 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1cfp h THR 81 Cb 0.07 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1cfp h THR 81 CO 0.01 0.00 -0.17 0.71 0.37 0.00 0.00 175.52 176.45 1cfp h THR 82 N 0.00 0.48 0.00 3.16 1.35 -1.36 0.23 112.91 116.76 1cfp h THR 82 Ca 0.60 -0.71 -0.11 0.00 -0.55 0.00 0.00 66.41 65.65 1cfp h THR 82 Cb 2.60 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 69.76 1cfp h THR 82 CO -0.01 0.10 -0.54 0.00 -0.25 0.00 0.00 175.52 174.83 1cfp h ALA 83 N -0.60 0.74 0.00 6.62 0.00 -0.73 -3.08 119.26 122.21 1cfp h ALA 83 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1cfp h ALA 83 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1cfp h ALA 83 CO 0.08 0.67 0.02 0.00 0.00 0.00 0.00 179.25 180.02 1cfp n HIS 85 N -1.52 0.00 -0.03 0.00 -0.00 -1.16 -4.84 115.22 107.67 1cfp n HIS 85 Ca -0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 1cfp n HIS 85 Cb 0.02 -0.40 -0.10 0.00 -0.12 0.00 0.00 29.99 29.39 1cfp n HIS 85 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1cfp h GLU 86 N 2.09 -0.04 -6.15 1.57 5.08 -1.73 -3.43 114.58 111.97 1cfp h GLU 86 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 1cfp h GLU 86 Cb 0.00 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1cfp h GLU 86 CO 0.00 0.66 1.18 1.19 -1.00 0.00 0.00 179.01 181.04 1cfp n PHE 87 N -4.75 2.07 -1.77 4.33 3.72 0.77 -4.19 117.46 117.64 1cfp n PHE 87 Ca -0.09 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1cfp n PHE 87 Cb 0.35 -2.60 0.00 0.00 -0.94 0.00 0.00 39.48 36.29 1cfp n PHE 87 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1cfp n PHE 88 N 7.67 -4.09 -0.21 1.38 3.01 -1.26 -4.34 117.46 119.61 1cfp n PHE 88 Ca 0.29 2.45 0.01 0.00 1.01 0.00 0.00 57.45 61.21 1cfp n PHE 88 Cb 0.26 -3.40 0.12 0.00 -0.01 0.00 0.00 39.48 36.45 1cfp n PHE 88 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cfp h GLU 89 N 3.48 0.25 -0.71 -1.08 4.81 -1.83 -3.06 114.58 116.44 1cfp h GLU 89 Ca 0.00 -0.02 -0.39 0.00 -0.13 0.00 0.00 59.36 58.82 1cfp h GLU 89 Cb 0.00 -0.06 -0.41 0.00 0.63 0.00 0.00 28.75 28.91 1cfp h GLU 89 CO 0.00 0.17 -0.99 -2.39 -0.73 0.00 0.00 179.01 175.07 1cfp n HIS 90 N -5.13 1.96 -0.34 0.92 1.44 -1.26 -4.99 115.22 107.82 1cfp n HIS 90 Ca 0.10 -2.33 0.00 0.00 -2.01 0.00 0.00 57.72 53.47 1cfp n HIS 90 Cb 0.34 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.18 1cfp n HIS 90 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62